Summary

Molecular formula: C21H34O6
SMILES: CO[C@@H]1C[C@]2(C(=C1C(C)C)[C@@]1(O)C[C@H]3O[C@]([C@@]1(CC2)C)(O)[C@@H]([C@@H]3CO)O)C
InChI: InChI=1S/C21H34O6/c1-11(2)15-14(26-5)8-18(3)6-7-19(4)20(24,16(15)18)9-13-12(10-22)17(23)21(19,25)27-13/h11-14,17,22-25H,6-10H2,1-5H3/t12-,13-,14-,17-,18+,19-,20+,21-/m1/s1
InChIKey: XRSIVTMZKDLANL-PTBKGXCNSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2C(CC1)CCC1C3CCC(CC21)O3

Scaffold Graph/Node level:
C1CC2CCC3C4CCC(CC3C2C1)O4

Scaffold Graph level:
C1CC2CCC3C4CCC(C4)CC3C2C1

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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:
neocyathin t

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External chemical identifiers:
CID_145720673; NPATLAS_NPA024883

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Chemical structure download