Summary

Molecular formula: C33H56O3
SMILES: CCO[C@@H]1O[C@](C)(CC[C@@H]1C)[C@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C
InChI: InChI=1S/C33H56O3/c1-10-35-28-21(2)13-20-33(9,36-28)22(3)23-14-18-32(8)25-11-12-26-29(4,5)27(34)16-17-30(26,6)24(25)15-19-31(23,32)7/h21-23,26-28,34H,10-20H2,1-9H3/t21-,22-,23+,26-,27-,28+,30+,31+,32-,33+/m0/s1
InChIKey: NMVFHEIVSJMPPY-QYELQWIWSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC(CC2CCC3C4=C(CCC23)C2CCCCC2CC4)OC1

Scaffold Graph/Node level:
C1CCC(CC2CCC3C2CCC2C4CCCCC4CCC23)OC1

Scaffold Graph level:
C1CCC(CC2CCC3C2CCC2C4CCCCC4CCC23)CC1

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Prenol lipids
Sub class: Triterpenoids

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Synonymous chemical names:
astrakurkurol

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External chemical identifiers:
CID_139586335; NPATLAS_NPA011657; CHEMSPIDER_78437657; ZINC_ZINC000255247079

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Chemical structure download