(Q105351988)

English

(4R,4aS,6aR,6aS,6bR,8aS,12aS,14aS,14bR)-8a-(hydroxymethyl)-4,4a,6a,6b,11,11,14a-heptamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one

chemical compound

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instance of

type of chemical entity

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subclass of

(4R,4aS,6aS,6bR,8aS,14aS)-8a-(hydroxymethyl)-4,4a,6a,6b,11,11,14a-heptamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one

1 reference

1 reference

442.38108084 dalton

1 reference

1 reference

(4R,4aR,6aS,6aS,6bR,8aS,12aS,14aS,14bR)-8a-(hydroxymethyl)-4,4a,6a,6b,11,11,14a-heptamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀O₂

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canonical SMILES

O=C1CCC2C(C)(CCC3C2(C)CCC4(C)C5CC(C)(C)CCC5(CO)CCC34C)C1C

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isomeric SMILES

C[C@H]1C(=O)CC[C@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(CO)CC[C@]12C

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found in taxon

Celastrus hindsii

1 reference

stated in

Antitumour and anti-AIDS triterpenes from Celastrus hindsii

Identifiers

InChI

InChI=1S/C30H50O2/c1-20-21(32)8-9-22-26(20,4)11-10-23-27(22,5)13-14-29(7)24-18-25(2,3)12-16-30(24,19-31)17-15-28(23,29)6/h20,22-24,31H,8-19H2,1-7H3/t20-,22-,23+,24-,26+,27-,28+,29-,30+/m0/s1

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InChIKey

YPWQSKQSNNTXOL-IIWBYEMSSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105351988)

(4R,4aS,6aR,6aS,6bR,8aS,12aS,14aS,14bR)-8a-(hydroxymethyl)-4,4a,6a,6b,11,11,14a-heptamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one

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