(Q104909102)

English

(1S,2R,5R,6R,9R,10R,13S,15S)-6,10-dimethyl-5-[(E,2R)-4-[(1R,2S)-2-methylcyclopropyl]but-3-en-2-yl]-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol

chemical compound

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instance of

type of chemical entity

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subclass of

6,10-Dimethyl-5-[4-(2-methylcyclopropyl)but-3-en-2-yl]-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

412.29774514 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(25R)-5alpha,8alpha-epidioxy-24R,26-cyclo-cholest-6,22E-dien-3beta-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₀O₃

0 references

canonical SMILES

OC1CCC2(C)C3CCC4(C)C(CCC4C53OOC2(C=C5)C1)C(C=CC6CC6C)C

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isomeric SMILES

C[C@H]1C[C@H]1/C=C/[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

Eunicella cavolini

1 reference

stated in

5alpha,8alpha-Epidioxysterols from the gorgonian Eunicella cavolini and the ascidian Trididemnum inarmatum: isolation and evaluation of their antiproliferative activity

Identifiers

InChI

InChI=1S/C27H40O3/c1-17(5-6-19-15-18(19)2)21-7-8-22-24(21,3)11-10-23-25(4)12-9-20(28)16-26(25)13-14-27(22,23)30-29-26/h5-6,13-14,17-23,28H,7-12,15-16H2,1-4H3/b6-5+/t17-,18+,19-,20+,21-,22-,23-,24-,25-,26-,27+/m1/s1

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InChIKey

ACIGRLRKXLVDFE-RMVUWKEWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ACIGRLRKXLVDFE-RMVUWKEWSA-N

(Q104909102)

(1S,2R,5R,6R,9R,10R,13S,15S)-6,10-dimethyl-5-[(E,2R)-4-[(1R,2S)-2-methylcyclopropyl]but-3-en-2-yl]-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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