(Q105210864)

English

(2R,4aR,6aR,8aR,12aS,14R,14aS,14bS)-14,14b-dihydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-10-oxo-1,3,4,5,6,7,8,8a,11,12,13,14-dodecahydropicene-2-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

14,14b-Dihydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-10-oxo-1,3,4,5,6,7,8,8a,11,12,13,14-dodecahydropicene-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

486.334524572 dalton

1 reference

1 reference

C₃₀H₄₆O₅

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canonical SMILES

O=C(O)C1(C)CCC2(C)CCC3(C4=C(CC(O)C3(C)C2(O)C1)C5(C)CCC(=O)C(C)(C)C5CC4)C

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isomeric SMILES

CC1(C)C(=O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@@]1(C)CC[C@]2(C)CC[C@@](C)(C(=O)O)C[C@@]2(O)[C@]1(C)[C@H](O)C3

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found in taxon

Sandoricum indicum

1 reference

stated in

New multiflorane-type triterpenoid acids from Sandoricum indicum

Santol

1 reference

stated in

New multiflorane-type triterpenoid acids from Sandoricum indicum

Identifiers

InChI

InChI=1S/C30H46O5/c1-24(2)20-9-8-18-19(27(20,5)11-10-21(24)31)16-22(32)29(7)28(18,6)15-14-26(4)13-12-25(3,23(33)34)17-30(26,29)35/h20,22,32,35H,8-17H2,1-7H3,(H,33,34)/t20-,22+,25+,26-,27+,28+,29+,30-/m0/s1

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InChIKey

PLEQWDWYBBEGIT-WEYVQSOYSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105210864)

(2R,4aR,6aR,8aR,12aS,14R,14aS,14bS)-14,14b-dihydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-10-oxo-1,3,4,5,6,7,8,8a,11,12,13,14-dodecahydropicene-2-carboxylic acid

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Identifiers

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