(Q104667310)

English

(4R,6aR,8aR,12S,12aR,14bR)-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid

group of stereoisomers with the chemical formula C₃₀H₄₈O₃

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instance of

group of stereoisomers

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subclass of

taraxastane / ursane triterpenoid

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inferred from

taraxastane / ursane triterpenoid

mass

456.36034539599996 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₄₈O₃

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canonical SMILES

O=C(O)C1(C)C(O)CCC2(C)C3CC=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC12

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isomeric SMILES

CC1CC[C@]2(C)CCC3(C)C(=CCC4[C@@]5(C)CCC(O)[C@](C)(C(=O)O)C5CC[C@]43C)[C@@H]2[C@H]1C

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found in taxon

Boswellia

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stated in

Archaeological frankincense

Identifiers

InChI

InChI=1S/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18?,19-,21?,22?,23?,24-,26+,27+,28?,29+,30+/m0/s1

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InChIKey

NBGQZFQREPIKMG-XRYFDTAOSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

NBGQZFQREPIKMG-XRYFDTAOSA-N

1 reference

(Q104667310)

(4R,6aR,8aR,12S,12aR,14bR)-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid

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