(Q105004594)

English

(1S,2R,5R,6R,9R,10R,13S,15S)-6,10-dimethyl-5-[(1R)-1-[(1S,2R)-2-[(2R)-3-methylbutan-2-yl]cyclopropyl]ethyl]-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

6,10-Dimethyl-5-[1-[2-(3-methylbutan-2-yl)cyclopropyl]ethyl]-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol

1 reference

based on heuristic

inferred from SMILES

mass

442.344695332 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

5alpha,8alpha-epidioxysterol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₆O₃

0 references

canonical SMILES

OC1CCC2(C)C3CCC4(C)C(CCC4C53OOC2(C=C5)C1)C(C)C6CC6C(C)C(C)C

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isomeric SMILES

CC(C)[C@@H](C)[C@H]1C[C@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)OO4

0 references

found in taxon

Sinularia flexibilis

1 reference

stated in

5,8-Epidioxysterols and related derivatives from a Chinese soft coral Sinularia flexibilis

Identifiers

InChI

InChI=1S/C29H46O3/c1-17(2)18(3)21-15-22(21)19(4)23-7-8-24-26(23,5)11-10-25-27(6)12-9-20(30)16-28(27)13-14-29(24,25)32-31-28/h13-14,17-25,30H,7-12,15-16H2,1-6H3/t18-,19-,20+,21-,22+,23-,24-,25-,26-,27-,28-,29+/m1/s1

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InChIKey

FYNMKNFAKCHMLL-SWOIOYSJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FYNMKNFAKCHMLL-SWOIOYSJSA-N

(Q105004594)

(1S,2R,5R,6R,9R,10R,13S,15S)-6,10-dimethyl-5-[(1R)-1-[(1S,2R)-2-[(2R)-3-methylbutan-2-yl]cyclopropyl]ethyl]-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol

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Identifiers

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