(Q104991070)

English

(3R,6aR,6aR,6bR,8aR,12aS,14aS,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,6,6a,7,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol

chemical compound

In more languages

Statements

type of chemical entity

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oleanane triterpenoid

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426.38616622 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O

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canonical SMILES

OC1CCC2(C(=CCC3(C)C2CCC4C5CC(C)(C)CCC5(C)CCC43C)C1(C)C)C

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isomeric SMILES

CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)C5=CC[C@]43C)[C@@H]2C1

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Leucosceptrum canum

1 reference

Antibacterial constituents from Leucosceptrum canum

Identifiers

InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h11,20-21,23-24,31H,9-10,12-19H2,1-8H3/t20-,21+,23-,24-,27-,28+,29-,30-/m1/s1

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DXMBEEWPZJHWEY-QJEKVVCDSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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