(4aR,6aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-(aminomethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-3,13-diol;(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,13,14a,14b-tetradecahydropicene-4a-carboxamide;(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,13,14a,14b-tetradecahydropicene-4a-carboxylic acid;tert-butyl N-[[(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-10,14-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicen-4a-yl]methyl]carbamate

C125H207N3O13 — CID 160711357

IUPAC(4aR,6aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-(aminomethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-3,13-diol;(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,13,14a,14b-tetradecahydropicene-4a-carboxamide;(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,13,14a,14b-tetradecahydropicene-4a-carboxylic acid;tert-butyl N-[[(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-10,14-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicen-4a-yl]methyl]carbamate
SMILESCC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](C(=O)C[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1.CC1(C)CC[C@]2(C(N)=O)CC[C@]3(C)[C@H](C(=O)C[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1.CC1(C)CC[C@]2(CN)CC[C@]3(C)[C@H](C(O)C[C@@H]4[C@@]5(C)CCC(O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1.CC1(C)CC[C@]2(CNC(=O)OC(C)(C)C)CC[C@]3(C)[C@H](C(O)C[C@@H]4[C@@]5(C)CCC(O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
InChIInChI=1S/C35H61NO4.C30H47NO3.C30H53NO2.C30H46O4/c1-29(2,3)40-28(39)36-21-35-17-15-30(4,5)20-22(35)27-23(37)19-25-32(8)13-12-26(38)31(6,7)24(32)11-14-33(25,9)34(27,10)16-18-35;1-25(2)12-14-30(24(31)34)15-13-29(7)23(18(30)17-25)19(32)16-21-27(5)10-9-22(33)26(3,4)20(27)8-11-28(21,29)6;1-25(2)12-14-30(18-31)15-13-29(7)24(19(30)17-25)20(32)16-22-27(5)10-9-23(33)26(3,4)21(27)8-11-28(22,29)6;1-25(2)12-14-30(24(33)34)15-13-29(7)23(18(30)17-25)19(31)16-21-27(5)10-9-22(32)26(3,4)20(27)8-11-28(21,29)6/h22-27,37-38H,11-21H2,1-10H3,(H,36,39);18,20-21,23H,8-17H2,1-7H3,(H2,31,34);19-24,32-33H,8-18,31H2,1-7H3;18,20-21,23H,8-17H2,1-7H3,(H,33,34)/t22-,23?,24-,25+,26?,27-,32-,33+,34+,35+;18-,20-,21+,23-,27-,28+,29+,30-;19-,20?,21-,22+,23?,24-,27-,28+,29+,30+;18-,20-,21+,23-,27-,28+,29+,30-/m0000/s1
InChIKeyRRXAYGVZXCPWPQ-GKQHZYBNSA-N
MW1960.04 g/mol
LogP26.68
Rot. Bonds5

About (4aR,6aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-(aminomethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-3,13-diol;(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,13,14a,14b-tetradecahydropicene-4a-carboxamide;(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,13,14a,14b-tetradecahydropicene-4a-carboxylic acid;tert-butyl N-[[(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-10,14-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicen-4a-yl]methyl]carbamate

(4aR,6aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-(aminomethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-3,13-diol;(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,13,14a,14b-tetradecahydropicene-4a-carboxamide;(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,13,14a,14b-tetradecahydropicene-4a-carboxylic acid;tert-butyl N-[[(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-10,14-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicen-4a-yl]methyl]carbamate (PubChem CID 160711357) has the molecular formula C125H207N3O13 and a molecular weight of 1960.04 g/mol. Its IUPAC name is (4aR,6aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-(aminomethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-3,13-diol;(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,13,14a,14b-tetradecahydropicene-4a-carboxamide;(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,13,14a,14b-tetradecahydropicene-4a-carboxylic acid;tert-butyl N-[[(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-10,14-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicen-4a-yl]methyl]carbamate.

Molecular Properties

Compound Name(4aR,6aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-(aminomethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-3,13-diol;(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,13,14a,14b-tetradecahydropicene-4a-carboxamide;(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,13,14a,14b-tetradecahydropicene-4a-carboxylic acid;tert-butyl N-[[(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-10,14-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicen-4a-yl]methyl]carbamate
PubChem CID160711357
Molecular FormulaC125H207N3O13
Molecular Weight1960.04 g/mol
Exact Mass1958.56
IUPAC Name(4aR,6aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-(aminomethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-3,13-diol;(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,13,14a,14b-tetradecahydropicene-4a-carboxamide;(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,13,14a,14b-tetradecahydropicene-4a-carboxylic acid;tert-butyl N-[[(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-10,14-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicen-4a-yl]methyl]carbamate
SMILESCC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](C(=O)C[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1.CC1(C)CC[C@]2(C(N)=O)CC[C@]3(C)[C@H](C(=O)C[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1.CC1(C)CC[C@]2(CN)CC[C@]3(C)[C@H](C(O)C[C@@H]4[C@@]5(C)CCC(O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1.CC1(C)CC[C@]2(CNC(=O)OC(C)(C)C)CC[C@]3(C)[C@H](C(O)C[C@@H]4[C@@]5(C)CCC(O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
InChIInChI=1S/C35H61NO4.C30H47NO3.C30H53NO2.C30H46O4/c1-29(2,3)40-28(39)36-21-35-17-15-30(4,5)20-22(35)27-23(37)19-25-32(8)13-12-26(38)31(6,7)24(32)11-14-33(25,9)34(27,10)16-18-35;1-25(2)12-14-30(24(31)34)15-13-29(7)23(18(30)17-25)19(32)16-21-27(5)10-9-22(33)26(3,4)20(27)8-11-28(21,29)6;1-25(2)12-14-30(18-31)15-13-29(7)24(19(30)17-25)20(32)16-22-27(5)10-9-23(33)26(3,4)21(27)8-11-28(22,29)6;1-25(2)12-14-30(24(33)34)15-13-29(7)23(18(30)17-25)19(31)16-21-27(5)10-9-22(32)26(3,4)20(27)8-11-28(21,29)6/h22-27,37-38H,11-21H2,1-10H3,(H,36,39);18,20-21,23H,8-17H2,1-7H3,(H2,31,34);19-24,32-33H,8-18,31H2,1-7H3;18,20-21,23H,8-17H2,1-7H3,(H,33,34)/t22-,23?,24-,25+,26?,27-,32-,33+,34+,35+;18-,20-,21+,23-,27-,28+,29+,30-;19-,20?,21-,22+,23?,24-,27-,28+,29+,30+;18-,20-,21+,23-,27-,28+,29+,30-/m0000/s1
InChIKeyRRXAYGVZXCPWPQ-GKQHZYBNSA-N
XLogP26.68
TPSA293.94 Ų
H-Bond Donors8
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001960.04
LogP ≤ 526.68
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1013

Analyze (4aR,6aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-(aminomethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-3,13-diol;(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,13,14a,14b-tetradecahydropicene-4a-carboxamide;(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,13,14a,14b-tetradecahydropicene-4a-carboxylic acid;tert-butyl N-[[(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-10,14-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicen-4a-yl]methyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aR,6aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-(aminomethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-3,13-diol;(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,13,14a,14b-tetradecahydropicene-4a-carboxamide;(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,13,14a,14b-tetradecahydropicene-4a-carboxylic acid;tert-butyl N-[[(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-10,14-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicen-4a-yl]methyl]carbamate?
The IUPAC name of (4aR,6aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-(aminomethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-3,13-diol;(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,13,14a,14b-tetradecahydropicene-4a-carboxamide;(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,13,14a,14b-tetradecahydropicene-4a-carboxylic acid;tert-butyl N-[[(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-10,14-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicen-4a-yl]methyl]carbamate (CID 160711357) is (4aR,6aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-(aminomethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-3,13-diol;(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,13,14a,14b-tetradecahydropicene-4a-carboxamide;(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,13,14a,14b-tetradecahydropicene-4a-carboxylic acid;tert-butyl N-[[(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-10,14-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicen-4a-yl]methyl]carbamate.
What is the SMILES notation for (4aR,6aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-(aminomethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-3,13-diol;(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,13,14a,14b-tetradecahydropicene-4a-carboxamide;(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,13,14a,14b-tetradecahydropicene-4a-carboxylic acid;tert-butyl N-[[(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-10,14-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicen-4a-yl]methyl]carbamate?
The canonical SMILES for (4aR,6aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-(aminomethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-3,13-diol;(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,13,14a,14b-tetradecahydropicene-4a-carboxamide;(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,13,14a,14b-tetradecahydropicene-4a-carboxylic acid;tert-butyl N-[[(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-10,14-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicen-4a-yl]methyl]carbamate is CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](C(=O)C[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1.CC1(C)CC[C@]2(C(N)=O)CC[C@]3(C)[C@H](C(=O)C[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1.CC1(C)CC[C@]2(CN)CC[C@]3(C)[C@H](C(O)C[C@@H]4[C@@]5(C)CCC(O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1.CC1(C)CC[C@]2(CNC(=O)OC(C)(C)C)CC[C@]3(C)[C@H](C(O)C[C@@H]4[C@@]5(C)CCC(O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1.
What is the InChIKey of (4aR,6aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-(aminomethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-3,13-diol;(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,13,14a,14b-tetradecahydropicene-4a-carboxamide;(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,13,14a,14b-tetradecahydropicene-4a-carboxylic acid;tert-butyl N-[[(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-10,14-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicen-4a-yl]methyl]carbamate?
The InChIKey is RRXAYGVZXCPWPQ-GKQHZYBNSA-N. The full InChI is InChI=1S/C35H61NO4.C30H47NO3.C30H53NO2.C30H46O4/c1-29(2,3)40-28(39)36-21-35-17-15-30(4,5)20-22(35)27-23(37)19-25-32(8)13-12-26(38)31(6,7)24(32)11-14-33(25,9)34(27,10)16-18-35;1-25(2)12-14-30(24(31)34)15-13-29(7)23(18(30)17-25)19(32)16-21-27(5)10-9-22(33)26(3,4)20(27)8-11-28(21,29)6;1-25(2)12-14-30(18-31)15-13-29(7)24(19(30)17-25)20(32)16-22-27(5)10-9-23(33)26(3,4)21(27)8-11-28(22,29)6;1-25(2)12-14-30(24(33)34)15-13-29(7)23(18(30)17-25)19(31)16-21-27(5)10-9-22(32)26(3,4)20(27)8-11-28(21,29)6/h22-27,37-38H,11-21H2,1-10H3,(H,36,39);18,20-21,23H,8-17H2,1-7H3,(H2,31,34);19-24,32-33H,8-18,31H2,1-7H3;18,20-21,23H,8-17H2,1-7H3,(H,33,34)/t22-,23?,24-,25+,26?,27-,32-,33+,34+,35+;18-,20-,21+,23-,27-,28+,29+,30-;19-,20?,21-,22+,23?,24-,27-,28+,29+,30+;18-,20-,21+,23-,27-,28+,29+,30-/m0000/s1.
What are the key properties of (4aR,6aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-(aminomethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-3,13-diol;(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,13,14a,14b-tetradecahydropicene-4a-carboxamide;(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,13,14a,14b-tetradecahydropicene-4a-carboxylic acid;tert-butyl N-[[(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-10,14-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicen-4a-yl]methyl]carbamate?
(4aR,6aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-(aminomethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-3,13-diol;(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,13,14a,14b-tetradecahydropicene-4a-carboxamide;(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,13,14a,14b-tetradecahydropicene-4a-carboxylic acid;tert-butyl N-[[(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-10,14-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicen-4a-yl]methyl]carbamate has a molecular weight of 1960.04 g/mol, XLogP of 26.68, 5 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,6aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-(aminomethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-3,13-diol;(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,13,14a,14b-tetradecahydropicene-4a-carboxamide;(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,13,14a,14b-tetradecahydropicene-4a-carboxylic acid;tert-butyl N-[[(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bS)-10,14-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicen-4a-yl]methyl]carbamate is sourced from PubChem (CID 160711357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).