(Q105268974)

English

[(3S,9S,10R,13R,14R,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-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-ethyl-6-methylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

454.38108084 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

7-dehydrositosterol acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₅₀O₂

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canonical SMILES

O=C(OC1CC2=CC=C3C(CCC4(C)C3CCC4C(C)CCC(CC)C(C)C)C2(C)CC1)C

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isomeric SMILES

CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C

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found in taxon

Chlorella vulgaris

1 reference

stated in

24β-methyl-5α-cholest-9(11)-en-3β-ol, two 24β-alkyl-Δ5,7,9(11)-sterols and other 24β-alkylsterol from Chlorella vulgaris

Identifiers

InChI

InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h11-12,20-21,23,25,27-29H,8-10,13-19H2,1-7H3/t21-,23+,25+,27-,28+,29+,30+,31-/m1/s1

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InChIKey

UAPHCBGZXBNGDZ-QLQKWLJLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UAPHCBGZXBNGDZ-QLQKWLJLSA-N

(Q105268974)

[(3S,9S,10R,13R,14R,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Statements

Identifiers

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