CID 102194275

C33H56O — CID 102194275

IUPAC—
SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC5(CC[C@]4(C)[C@H]3CC[C@]12C)CC1(CCOC1)C5
InChIInChI=1S/C33H56O/c1-23(2)7-6-8-24(3)27-11-12-28-26-10-9-25-19-32(20-33(21-32)17-18-34-22-33)16-15-30(25,4)29(26)13-14-31(27,28)5/h23-29H,6-22H2,1-5H3/t24-,25+,26+,27-,28+,29+,30+,31-,32?,33?/m1/s1
InChIKeyNVSGPIYNIHPRQK-JKUPTRKNSA-N
MW468.81 g/mol
LogP9.29
Rot. Bonds5

About CID 102194275

CID 102194275 (PubChem CID 102194275) has the molecular formula C33H56O and a molecular weight of 468.81 g/mol.

Molecular Properties

Compound NameCID 102194275
PubChem CID102194275
Molecular FormulaC33H56O
Molecular Weight468.81 g/mol
Exact Mass468.43
IUPAC Name—
SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC5(CC[C@]4(C)[C@H]3CC[C@]12C)CC1(CCOC1)C5
InChIInChI=1S/C33H56O/c1-23(2)7-6-8-24(3)27-11-12-28-26-10-9-25-19-32(20-33(21-32)17-18-34-22-33)16-15-30(25,4)29(26)13-14-31(27,28)5/h23-29H,6-22H2,1-5H3/t24-,25+,26+,27-,28+,29+,30+,31-,32?,33?/m1/s1
InChIKeyNVSGPIYNIHPRQK-JKUPTRKNSA-N
XLogP9.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.81
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,1'-cyclopropane]
CID 10597040
(8R,9S,10S,13R,14S,17R)-3,3,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
CID 154572986
(5R,8R,14R)-10,13-dimethyl-17-(6-methylheptan-2-yl)spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]
CID 45048634
CID 10795461
CID 10795461
(3S,5S)-3,10,13-trimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
CID 154792784
(3R,5S,8R,9S,10S,13R,14R,17S)-3-chloro-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-nitroso-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
CID 125032589
3-chloro-10,13-dimethyl-17-(6-methylheptan-2-yl)-3-nitroso-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
CID 4219939
(10S,13R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 166052269
(5S,8R,9S,10S,13R,14R,17S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 91873736
(10R,13S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 6431239
(2'R,5'S,10'S,13'R,14'S,17'R)-2',10',13'-trimethyl-17'-[(2R)-6-methylheptan-2-yl]spiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene]-2'-ol
CID 162404952
(10S,13R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-3-(trifluoromethyl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
CID 170909497

Frequently Asked Questions

What is the IUPAC name of CID 102194275?
The IUPAC name of CID 102194275 (CID 102194275) is not available.
What is the SMILES notation for CID 102194275?
The canonical SMILES for CID 102194275 is CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC5(CC[C@]4(C)[C@H]3CC[C@]12C)CC1(CCOC1)C5.
What is the InChIKey of CID 102194275?
The InChIKey is NVSGPIYNIHPRQK-JKUPTRKNSA-N. The full InChI is InChI=1S/C33H56O/c1-23(2)7-6-8-24(3)27-11-12-28-26-10-9-25-19-32(20-33(21-32)17-18-34-22-33)16-15-30(25,4)29(26)13-14-31(27,28)5/h23-29H,6-22H2,1-5H3/t24-,25+,26+,27-,28+,29+,30+,31-,32?,33?/m1/s1.
What are the key properties of CID 102194275?
CID 102194275 has a molecular weight of 468.81 g/mol, XLogP of 9.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102194275 is sourced from PubChem (CID 102194275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).