(Q105234680)

English

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

chemical compound

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instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

428.365430776 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₈O₂

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canonical SMILES

O=C(C)C1CCC2(C)C1CCC3(C)C2CCC4C5(C)CCC(O)C(C)(C)C5CCC43C

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isomeric SMILES

CC(=O)[C@@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]21C

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found in taxon

Euphorbia sapinii

1 reference

stated in

Terpenoids constituents of Euphorbia sapinii

Identifiers

InChI

InChI=1S/C29H48O2/c1-18(30)19-10-14-26(4)20(19)11-16-28(6)22(26)8-9-23-27(5)15-13-24(31)25(2,3)21(27)12-17-29(23,28)7/h19-24,31H,8-17H2,1-7H3/t19-,20-,21-,22+,23+,24-,26-,27-,28+,29+/m0/s1

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InChIKey

REDNULFHHACMQC-JFXSPOOESA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

REDNULFHHACMQC-JFXSPOOESA-N

(Q105234680)

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

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Identifiers

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