(Q105291643)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

1-(3-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-2,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[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

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

1 reference

C₂₉H₄₈O₂

0 references

canonical SMILES

O=C(C)C1(O)CCC2(C)C1CCC3(C)C2CCC4C5(C)CCCC(C)(C)C5CCC43C

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isomeric SMILES

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

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found in taxon

Adiantum pedatum

1 reference

stated in

Fern Constituents: Triterpenoids Isolated from the Leaves of Adiantum pedatum. 23-Hydroxyfernene, Glaucanol A and filicenoic Acid.

Identifiers

InChI

InChI=1S/C29H48O2/c1-19(30)29(31)18-17-26(5)22-10-9-21-25(4)14-8-13-24(2,3)20(25)11-15-27(21,6)28(22,7)16-12-23(26)29/h20-23,31H,8-18H2,1-7H3/t20-,21+,22-,23+,25-,26+,27+,28+,29-/m0/s1

0 references

InChIKey

VRAGAYVLFJOKAS-GGNNMAOMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VRAGAYVLFJOKAS-GGNNMAOMSA-N

(Q105291643)

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

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