(Q105155975)

English

[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

1-(5,6-dimethylhept-3-en-2-yl)-9a,11a-dimethyl-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

442.38108084 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O₂

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canonical SMILES

O=C(OC1CCC2(C)C(CCC3C4CCC(C(C=CC(C)C(C)C)C)C4(C)CCC32)C1)C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C)C1

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found in taxon

Pyrosoma atlanticum

1 reference

stated in

Sterol composition of Pyrosoma giganteum

Suberites carnosus

1 reference

stated in

ChemInform Abstract: SYNTHESIS OF TWO STANOLS IDENTIFIED IN THE SPONGE SUBERITES CARNOSUS

Identifiers

InChI

InChI=1S/C30H50O2/c1-19(2)20(3)8-9-21(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/h8-9,19-21,23-28H,10-18H2,1-7H3/b9-8+/t20-,21+,23-,24-,25-,26+,27-,28-,29-,30+/m0/s1

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InChIKey

LQYOPAXXSAPFCV-JBDQWKNUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LQYOPAXXSAPFCV-JBDQWKNUSA-N

1 reference

(Q105155975)

[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Statements

Identifiers

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