(Q104970005)

English

3,9-dihydroxy-4,6a,6b,8a,11,11,14a-heptamethyl-8,9,12,12a,13,14-hexahydro-7H-picene-2,10-dione

group of stereoisomers with the chemical formula C₂₉H₃₈O₄

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

450.277009696 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₈O₄

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canonical SMILES

O=C1C=C2C(=CC=C3C2(C)CCC4(C)C5CC(C(=O)C(O)C5(C)CCC34C)(C)C)C(=C1O)C

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found in taxon

Elaeodendron papillosum

1 reference

stated in

Flavanoids and triterpenoids from Cassine papillosa and the absolute configuration of 11,11-dimethyl-1,3,8,10-tetra-hydroxy-9-methoxypeltogynan

Identifiers

InChI

InChI=1S/C29H38O4/c1-16-17-8-9-20-26(4,18(17)14-19(30)22(16)31)10-12-29(7)21-15-25(2,3)23(32)24(33)27(21,5)11-13-28(20,29)6/h8-9,14,21,24,31,33H,10-13,15H2,1-7H3

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InChIKey

CTRBGLUFTHFANI-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CTRBGLUFTHFANI-UHFFFAOYSA-N

(Q104970005)

3,9-dihydroxy-4,6a,6b,8a,11,11,14a-heptamethyl-8,9,12,12a,13,14-hexahydro-7H-picene-2,10-dione

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Identifiers

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