(Q105279307)

English

(2R,4S,4aR,6aS,6aR,6bS,11S,12aR,14aS,14bS)-4,11-dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-1,2,4,5,6,6b,7,8,11,12,12a,13,14,14b-tetradecahydropicene-3,10-dione

chemical compound

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instance of

type of chemical entity

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subclass of

4,11-Dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-1,2,4,5,6,6b,7,8,11,12,12a,13,14,14b-tetradecahydropicene-3,10-dione

1 reference

based on heuristic

inferred from SMILES

(4aR,6aS,6aR,6bS,12aS,14aS,14bS)-4,11-dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-1,2,4,5,6,6b,7,8,11,12,12a,13,14,14b-tetradecahydropicene-3,10-dione

1 reference

based on heuristic

inferred from SMILES

mass

442.308309824 dalton

1 reference

1 reference

C₂₈H₄₂O₄

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canonical SMILES

O=C1C(=C2CCC3C(C)(CCC4(C)C5CC(C(=O)C(O)C5(C)CCC34C)C)C2CC1O)C

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isomeric SMILES

CC1=C2CC[C@H]3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@@H](C)C(=O)[C@@H](O)[C@]5(C)CC[C@]34C)[C@H]2C[C@H](O)C1=O

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found in taxon

Tripterygium doianum

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stated in

Terpenoids from Tripterygium doianum (Celastraceae)

Identifiers

InChI

InChI=1S/C28H42O4/c1-15-13-21-26(4,24(32)22(15)30)10-12-27(5)20-8-7-17-16(2)23(31)19(29)14-18(17)25(20,3)9-11-28(21,27)6/h15,18-21,24,29,32H,7-14H2,1-6H3/t15-,18+,19+,20+,21-,24-,25+,26-,27-,28+/m1/s1

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InChIKey

UUGCGHAFZPEHIC-MMGFMYNLSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105279307)

(2R,4S,4aR,6aS,6aR,6bS,11S,12aR,14aS,14bS)-4,11-dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-1,2,4,5,6,6b,7,8,11,12,12a,13,14,14b-tetradecahydropicene-3,10-dione

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Identifiers

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