(Q115951836)

English

5a,5b,8,8,11a,13b-hexamethyl-3-methylidene-2,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysene-4,9,13-triol

group of stereoisomers with the chemical formula C₂₈H₄₆O₃

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

430.344695332 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₆O₃

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canonical SMILES

OC1CC2(C)C(C(O)CC3C4(C)CCC(O)C(C)(C)C4CCC32C)C5(C)CCC(=C)C15

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found in taxon

Glinus oppositifolius

1 reference

stated in

Saponin and sapogenol. XXII. Structure of spergulatriol, a new bisnorhopane-type genuine sapogenol of isoanhydrospergulatriol, from the root of Mollugo spergula L.

Identifiers

InChI

InChI=1S/C28H46O3/c1-16-8-11-26(5)22(16)18(30)15-28(7)23(26)17(29)14-20-25(4)12-10-21(31)24(2,3)19(25)9-13-27(20,28)6/h17-23,29-31H,1,8-15H2,2-7H3

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InChIKey

QLYYJDGQTGKQSV-UHFFFAOYSA-N

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2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

QLYYJDGQTGKQSV-UHFFFAOYSA-N

(Q115951836)

5a,5b,8,8,11a,13b-hexamethyl-3-methylidene-2,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysene-4,9,13-triol

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