(Q115966591)

English

(1R,3aR,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bS)-1-[(1R)-1-hydroxyethyl]-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

430.38108084 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₅₀O₂

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canonical SMILES

OC(C)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12

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isomeric SMILES

C[C@@H](O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

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found in taxon

Euonymus carnosus

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stated in

Lupane triterpenoids from the stems of Euonymus carnosus

Identifiers

InChI

InChI=1S/C29H50O2/c1-18(30)19-10-13-26(4)16-17-28(6)20(24(19)26)8-9-22-27(5)14-12-23(31)25(2,3)21(27)11-15-29(22,28)7/h18-24,30-31H,8-17H2,1-7H3/t18-,19+,20-,21+,22-,23-,24-,26-,27+,28-,29-/m1/s1

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InChIKey

QZOQRCLOUAWPGS-QFFCLUIXSA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

QZOQRCLOUAWPGS-QFFCLUIXSA-N

1 reference

(Q115966591)

(1R,3aR,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bS)-1-[(1R)-1-hydroxyethyl]-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol

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Identifiers

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