[(2R,4aR,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicen-2-yl]methyl carbamate

C30H41NO4 — CID 118570856

IUPAC[(2R,4aR,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicen-2-yl]methyl carbamate
SMILESCC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(COC(N)=O)CC[C@@]3(C)CC[C@]12C
InChIInChI=1S/C30H41NO4/c1-18-19-7-8-22-28(4,20(19)15-21(32)24(18)33)12-14-30(6)23-16-26(2,17-35-25(31)34)9-10-27(23,3)11-13-29(22,30)5/h7-8,15,23,33H,9-14,16-17H2,1-6H3,(H2,31,34)/t23-,26-,27+,28+,29-,30+/m1/s1
InChIKeyAAHIWMNZZCDLGT-ZAZHENERSA-N
MW479.66 g/mol
LogP6.71
Rot. Bonds2

About [(2R,4aR,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicen-2-yl]methyl carbamate

[(2R,4aR,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicen-2-yl]methyl carbamate (PubChem CID 118570856) has the molecular formula C30H41NO4 and a molecular weight of 479.66 g/mol. Its IUPAC name is [(2R,4aR,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicen-2-yl]methyl carbamate.

Molecular Properties

Compound Name[(2R,4aR,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicen-2-yl]methyl carbamate
PubChem CID118570856
Molecular FormulaC30H41NO4
Molecular Weight479.66 g/mol
Exact Mass479.30
IUPAC Name[(2R,4aR,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicen-2-yl]methyl carbamate
SMILESCC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(COC(N)=O)CC[C@@]3(C)CC[C@]12C
InChIInChI=1S/C30H41NO4/c1-18-19-7-8-22-28(4,20(19)15-21(32)24(18)33)12-14-30(6)23-16-26(2,17-35-25(31)34)9-10-27(23,3)11-13-29(22,30)5/h7-8,15,23,33H,9-14,16-17H2,1-6H3,(H2,31,34)/t23-,26-,27+,28+,29-,30+/m1/s1
InChIKeyAAHIWMNZZCDLGT-ZAZHENERSA-N
XLogP6.71
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.66
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(2R,4aR,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicen-2-yl]methyl carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,4aR,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicen-2-yl]methyl carbamate?
The IUPAC name of [(2R,4aR,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicen-2-yl]methyl carbamate (CID 118570856) is [(2R,4aR,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicen-2-yl]methyl carbamate.
What is the SMILES notation for [(2R,4aR,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicen-2-yl]methyl carbamate?
The canonical SMILES for [(2R,4aR,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicen-2-yl]methyl carbamate is CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(COC(N)=O)CC[C@@]3(C)CC[C@]12C.
What is the InChIKey of [(2R,4aR,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicen-2-yl]methyl carbamate?
The InChIKey is AAHIWMNZZCDLGT-ZAZHENERSA-N. The full InChI is InChI=1S/C30H41NO4/c1-18-19-7-8-22-28(4,20(19)15-21(32)24(18)33)12-14-30(6)23-16-26(2,17-35-25(31)34)9-10-27(23,3)11-13-29(22,30)5/h7-8,15,23,33H,9-14,16-17H2,1-6H3,(H2,31,34)/t23-,26-,27+,28+,29-,30+/m1/s1.
What are the key properties of [(2R,4aR,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicen-2-yl]methyl carbamate?
[(2R,4aR,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicen-2-yl]methyl carbamate has a molecular weight of 479.66 g/mol, XLogP of 6.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4aR,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicen-2-yl]methyl carbamate is sourced from PubChem (CID 118570856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).