(Q105148642)

English

1-[(1R,3S,3aS,5aR,5bR,7aS,11aS,11bR,13aS,13bS)-1-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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Statements

instance of

type of chemical entity

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subclass of

1-(1-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

1 reference

based on heuristic

inferred from SMILES

mass

428.365430776 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₈O₂

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canonical SMILES

O=C(C)C1CC(O)C2(C)C1CCC3(C)C2CCC4C5(C)CCCC(C)(C)C5CCC43C

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isomeric SMILES

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

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found in taxon

Adiantum caudatum

1 reference

stated in

Triterpenoids from Adiantum caudatum

Adiantum edgeworthii

1 reference

stated in

Fern Constituents: Triterpenoids Isolated from the Leaves of Adiantum edgeworthii. Structures of 19.ALPHA.-Hydroxyadiantone and Fern-9(11)-en-25-oic Acid.

Identifiers

InChI

InChI=1S/C29H48O2/c1-18(30)19-17-24(31)29(7)20(19)11-15-28(6)23(29)10-9-22-26(4)14-8-13-25(2,3)21(26)12-16-27(22,28)5/h19-24,31H,8-17H2,1-7H3/t19-,20+,21+,22-,23+,24-,26+,27-,28-,29+/m1/s1

0 references

InChIKey

LAGXKUQTQBUCQF-WZNNDWDRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LAGXKUQTQBUCQF-WZNNDWDRSA-N

(Q105148642)

1-[(1R,3S,3aS,5aR,5bR,7aS,11aS,11bR,13aS,13bS)-1-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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