(Q105298697)

English

[(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S)-6-methyl-3-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[10,13-dimethyl-17-(6-methyl-3-methylideneheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

440.365430776 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₂

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canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Sarcophyton glaucum

1 reference

stated in

Marine sterols. VIII. Isolation and structure of sarcosterol, a new sterol with a Δ17(20)-double bond from the soft coral Sarcophyton glaucum

Identifiers

InChI

InChI=1S/C30H48O2/c1-19(2)8-9-20(3)21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h10,19,21,24-28H,3,8-9,11-18H2,1-2,4-7H3/t21-,24+,25+,26-,27+,28+,29+,30-/m1/s1

0 references

InChIKey

VXQQSAKRRWECNU-OJMNJZCNSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105298697)

[(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S)-6-methyl-3-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Statements

Identifiers

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