(Q105153523)

English

(6bS,8aS,11R,12aR,14aR)-3,11-dihydroxy-4,6a,6b,8a,11,14a-hexamethyl-8,9,12,12a,13,14-hexahydro-7H-picene-2,10-dione

group of stereoisomers with the chemical formula C₂₈H₃₆O₄

In more languages

Statements

group of stereoisomers

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chemical compound

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436.261359632 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₆O₄

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canonical SMILES

O=C1C=C2C(=CC=C3C2(C)CCC4(C)C5CC(O)(C(=O)CC5(C)CCC34C)C)C(=C1O)C

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isomeric SMILES

CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC(=O)[C@](C)(O)C[C@H]4C3(C)CC[C@@]21C

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Elaeodendron croceum

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Isolation and identification of poisonous triterpenoids from Elaeodendron croceum.

Identifiers

InChI=1S/C28H36O4/c1-16-17-7-8-20-25(3,18(17)13-19(29)23(16)31)10-12-27(5)21-14-28(6,32)22(30)15-24(21,2)9-11-26(20,27)4/h7-8,13,21,31-32H,9-12,14-15H2,1-6H3/t21-,24+,25+,26-,27?,28-/m1/s1

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LLINHWDEBZOLGN-RGEVBSDUSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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