Chondrosterin J

Name: Chondrosterin J — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₂₂O₃ — CID 74762982

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(3bR,6aS,7S,7aS)-7-hydroxy-5,5,7a-trimethyl-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-3-carboxylic acid

SMILESCC1(C)C[C@H]2[C@@H](C1)C1=C(C(=O)O)CC[C@]1(C)[C@H]2O

InChIInChI=1S/C15H22O3/c1-14(2)6-9-10(7-14)12(16)15(3)5-4-8(11(9)15)13(17)18/h9-10,12,16H,4-7H2,1-3H3,(H,17,18)/t9-,10+,12+,15+/m1/s1

InChIKeyMRCMXACVBWPPKX-YOLKCXPHSA-N

MW250.34 g/mol

LogP2.59

Rot. Bonds1

About Chondrosterin J

Chondrosterin J (PubChem CID 74762982) has the molecular formula C₁₅H₂₂O₃ and a molecular weight of 250.34 g/mol. Its IUPAC name is (3bR,6aS,7S,7aS)-7-hydroxy-5,5,7a-trimethyl-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-3-carboxylic acid.

Molecular Properties

Compound Name	Chondrosterin J
PubChem CID	74762982
Molecular Formula	C₁₅H₂₂O₃
Molecular Weight	250.34 g/mol
Exact Mass	250.16
IUPAC Name	(3bR,6aS,7S,7aS)-7-hydroxy-5,5,7a-trimethyl-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-3-carboxylic acid
SMILES	CC1(C)C[C@H]2[C@@H](C1)C1=C(C(=O)O)CC[C@]1(C)[C@H]2O
InChI	InChI=1S/C15H22O3/c1-14(2)6-9-10(7-14)12(16)15(3)5-4-8(11(9)15)13(17)18/h9-10,12,16H,4-7H2,1-3H3,(H,17,18)/t9-,10+,12+,15+/m1/s1
InChIKey	MRCMXACVBWPPKX-YOLKCXPHSA-N
XLogP	2.59
TPSA	57.53 Å²
H-Bond Donors	2
H-Bond Acceptors	2
Rotatable Bonds	1
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	250.34
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Chondrosterin J?

The IUPAC name of Chondrosterin J (CID 74762982) is (3bR,6aS,7S,7aS)-7-hydroxy-5,5,7a-trimethyl-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-3-carboxylic acid.

What is the SMILES notation for Chondrosterin J?

The canonical SMILES for Chondrosterin J is CC1(C)C[C@H]2[C@@H](C1)C1=C(C(=O)O)CC[C@]1(C)[C@H]2O.

What is the InChIKey of Chondrosterin J?

The InChIKey is MRCMXACVBWPPKX-YOLKCXPHSA-N. The full InChI is InChI=1S/C15H22O3/c1-14(2)6-9-10(7-14)12(16)15(3)5-4-8(11(9)15)13(17)18/h9-10,12,16H,4-7H2,1-3H3,(H,17,18)/t9-,10+,12+,15+/m1/s1.

What are the key properties of Chondrosterin J?

Chondrosterin J has a molecular weight of 250.34 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Chondrosterin J is sourced from PubChem (CID 74762982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 74762982 — identifiers, structure, computed properties (public domain)

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