(Q104969934)

English

(3S,6aR,8aS,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8,9-triol

group of stereoisomers with the chemical formula C₃₀H₅₀O₄

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Statements

instance of

group of stereoisomers

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subclass of

oleanane triterpenoid

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inferred from

oleanane triterpenoid

mass

474.37091008 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O₄

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canonical SMILES

OCC12C(O)CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC1O

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isomeric SMILES

CC1(C)CC(O)[C@]2(CO)C(O)CC3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C2C1

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found in taxon

Harpullia cupanioides

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stated in

Saponins from Harpullia cupanioides

Identifiers

InChI

InChI=1S/C30H50O4/c1-25(2)14-19-18-8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-28(21,6)29(18,7)16-24(34)30(19,17-31)23(33)15-25/h8,19-24,31-34H,9-17H2,1-7H3/t19?,20?,21?,22-,23?,24?,27-,28+,29?,30+/m0/s1

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InChIKey

CTNHZEZBBGIUJB-OPLGKKKHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CTNHZEZBBGIUJB-OPLGKKKHSA-N

1 reference

(Q104969934)

(3S,6aR,8aS,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8,9-triol

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Identifiers

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