Summary

Molecular formula: C22H32O4
SMILES: OCC1=CC(=O)[C@]2([C@H](C[C@H]1OC(=O)C)C1=C(CC[C@@]1(CC2)C)C(C)C)C
InChI: InChI=1S/C22H32O4/c1-13(2)16-6-7-21(4)8-9-22(5)17(20(16)21)11-18(26-14(3)24)15(12-23)10-19(22)25/h10,13,17-18,23H,6-9,11-12H2,1-5H3/t17-,18-,21-,22-/m1/s1
InChIKey: XWNYJTMVXNAWFA-MCEIDBOGSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCCC2C3=CCCC3CCC12

Scaffold Graph/Node level:
OC1CCCCC2C1CCC1CCCC12

Scaffold Graph level:
CC1CCCCC2C1CCC1CCCC12

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Chemical classification

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

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Synonymous chemical names:
11-o-acetylcyathin a3

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External chemical identifiers:
CID_101348969; NPATLAS_NPA001242; CHEMSPIDER_78436381

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Chemical structure download