(Q104915844)

English

(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,5R)-5-[(1R,2S)-2-methylcyclopropyl]hexan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

10,13-Dimethyl-17-[1-methyl-4-(2-methylcyclopropyl)pentyl]-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3-ol

1 reference

based on heuristic

inferred from SMILES

mass

412.370516156 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₈O

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canonical SMILES

OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCC(C)C5CC5C)C2(C)CC1

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isomeric SMILES

C[C@H]1C[C@H]1[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C

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found in taxon

Petrosia ficiformis

1 reference

stated in

Minor and trace sterols in marine invertebrates XVII. (24R)-24,26-Dimethylcholesta-5,26-dien-3 beta-OL, a new sterol from the sponge Petrosia ficiformis

Identifiers

InChI

InChI=1S/C29H48O/c1-18(24-16-20(24)3)6-7-19(2)25-10-11-26-23-9-8-21-17-22(30)12-14-28(21,4)27(23)13-15-29(25,26)5/h8,18-20,22-27,30H,6-7,9-17H2,1-5H3/t18-,19-,20+,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1

0 references

InChIKey

AOOVLQXWRHMRMX-CLCKHQHRSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104915844)

(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,5R)-5-[(1R,2S)-2-methylcyclopropyl]hexan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Statements

Identifiers

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