(Q105256542)

English

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

1 reference

based on heuristic

inferred from SMILES

mass

456.396730904 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₂O₂

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canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Aegiphila obducta

1 reference

stated in

Sterols and sterol glucosides from two Aegiphila species

Cajanus cajan

1 reference

stated in

Sterols of Cajanus cajan and three other leguminosae seeds

Dracaena cinnabari

1 reference

stated in

Sterols and triterpenoids from Dracaena cinnabari

Pyrosoma atlanticum

1 reference

stated in

Sterol composition of Pyrosoma giganteum

maize

1 reference

stated in

Investigations on the Δ23-, Δ24(28)- and Δ25-Sterols of zea mays

Identifiers

InChI

InChI=1S/C31H52O2/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/h9-10,20-21,23-29H,8,11-19H2,1-7H3/b10-9+/t21-,23-,24+,25+,26+,27-,28+,29+,30+,31-/m1/s1

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InChIKey

SNLRWRYYFMQYJK-FALFBYMVSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SNLRWRYYFMQYJK-FALFBYMVSA-N

1 reference

(Q105256542)

[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-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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