(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(morpholine-4-carbonyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(morpholin-4-ylmethyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one;methane

C68H100N2O7 — CID 160570692

IUPAC(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(morpholine-4-carbonyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(morpholin-4-ylmethyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one;methane
SMILESC.C.CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)N4CCOCC4)CC[C@]3(C)CC[C@]12C.CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(CN4CCOCC4)CC[C@]3(C)CC[C@]12C
InChIInChI=1S/C33H45NO4.C33H47NO3.2CH4/c1-21-22-7-8-25-31(4,23(22)19-24(35)27(21)36)12-14-33(6)26-20-30(3,28(37)34-15-17-38-18-16-34)10-9-29(26,2)11-13-32(25,33)5;1-22-23-7-8-26-31(4,24(23)19-25(35)28(22)36)12-14-33(6)27-20-29(2,21-34-15-17-37-18-16-34)9-10-30(27,3)11-13-32(26,33)5;;/h7-8,19,26,36H,9-18,20H2,1-6H3;7-8,19,27,36H,9-18,20-21H2,1-6H3;2*1H4/t26-,29-,30-,31+,32-,33+;27-,29-,30-,31+,32-,33+;;/m11../s1
InChIKeyRAMXMLPSQWHHQX-RZMWLJRASA-N
MW1057.55 g/mol
LogP14.69
Rot. Bonds3

About (6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(morpholine-4-carbonyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(morpholin-4-ylmethyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one;methane

(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(morpholine-4-carbonyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(morpholin-4-ylmethyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one;methane (PubChem CID 160570692) has the molecular formula C68H100N2O7 and a molecular weight of 1057.55 g/mol. Its IUPAC name is (6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(morpholine-4-carbonyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(morpholin-4-ylmethyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one;methane.

Molecular Properties

Compound Name(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(morpholine-4-carbonyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(morpholin-4-ylmethyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one;methane
PubChem CID160570692
Molecular FormulaC68H100N2O7
Molecular Weight1057.55 g/mol
Exact Mass1056.75
IUPAC Name(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(morpholine-4-carbonyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(morpholin-4-ylmethyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one;methane
SMILESC.C.CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)N4CCOCC4)CC[C@]3(C)CC[C@]12C.CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(CN4CCOCC4)CC[C@]3(C)CC[C@]12C
InChIInChI=1S/C33H45NO4.C33H47NO3.2CH4/c1-21-22-7-8-25-31(4,23(22)19-24(35)27(21)36)12-14-33(6)26-20-30(3,28(37)34-15-17-38-18-16-34)10-9-29(26,2)11-13-32(25,33)5;1-22-23-7-8-26-31(4,24(23)19-25(35)28(22)36)12-14-33(6)27-20-29(2,21-34-15-17-37-18-16-34)9-10-30(27,3)11-13-32(26,33)5;;/h7-8,19,26,36H,9-18,20H2,1-6H3;7-8,19,27,36H,9-18,20-21H2,1-6H3;2*1H4/t26-,29-,30-,31+,32-,33+;27-,29-,30-,31+,32-,33+;;/m11../s1
InChIKeyRAMXMLPSQWHHQX-RZMWLJRASA-N
XLogP14.69
TPSA116.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001057.55
LogP ≤ 514.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(morpholine-4-carbonyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(morpholin-4-ylmethyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(morpholine-4-carbonyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(morpholin-4-ylmethyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one;methane?
The IUPAC name of (6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(morpholine-4-carbonyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(morpholin-4-ylmethyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one;methane (CID 160570692) is (6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(morpholine-4-carbonyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(morpholin-4-ylmethyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one;methane.
What is the SMILES notation for (6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(morpholine-4-carbonyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(morpholin-4-ylmethyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one;methane?
The canonical SMILES for (6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(morpholine-4-carbonyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(morpholin-4-ylmethyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one;methane is C.C.CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)N4CCOCC4)CC[C@]3(C)CC[C@]12C.CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(CN4CCOCC4)CC[C@]3(C)CC[C@]12C.
What is the InChIKey of (6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(morpholine-4-carbonyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(morpholin-4-ylmethyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one;methane?
The InChIKey is RAMXMLPSQWHHQX-RZMWLJRASA-N. The full InChI is InChI=1S/C33H45NO4.C33H47NO3.2CH4/c1-21-22-7-8-25-31(4,23(22)19-24(35)27(21)36)12-14-33(6)26-20-30(3,28(37)34-15-17-38-18-16-34)10-9-29(26,2)11-13-32(25,33)5;1-22-23-7-8-26-31(4,24(23)19-25(35)28(22)36)12-14-33(6)27-20-29(2,21-34-15-17-37-18-16-34)9-10-30(27,3)11-13-32(26,33)5;;/h7-8,19,26,36H,9-18,20H2,1-6H3;7-8,19,27,36H,9-18,20-21H2,1-6H3;2*1H4/t26-,29-,30-,31+,32-,33+;27-,29-,30-,31+,32-,33+;;/m11../s1.
What are the key properties of (6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(morpholine-4-carbonyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(morpholin-4-ylmethyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one;methane?
(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(morpholine-4-carbonyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(morpholin-4-ylmethyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one;methane has a molecular weight of 1057.55 g/mol, XLogP of 14.69, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(morpholine-4-carbonyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(morpholin-4-ylmethyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one;methane is sourced from PubChem (CID 160570692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).