(Q82284420)

English

CTK4J3999

chemical compound

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instance of

type of chemical entity

0 references

subclass of

[10,13-dimethyl-17-(6-methyl-5-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

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3S,8R,9R,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-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 InChI

chemical formula

C₃₀H₄₈O₂

0 references

canonical SMILES

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

0 references

isomeric SMILES

C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C

0 references

found in taxon

Cajanus cajan

1 reference

stated in

Sterols of Cajanus cajan and three other leguminosae seeds

Dioscorea polystachya

1 reference

stated in

5α-cholest-8(14)-en-3β-ol and three 24-alkyl-Δ8(14) -sterols from the bulbils of Dioscorea batatas

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

Wrightia tinctoria

1 reference

stated in

14α-Methylzymosterol and other sterols from Wrightia tinctoria seeds

maize

2 references

stated in

24-Methyl-E-23-dehydrolophenol, a new sterol and two other 24-methyl-E-Δ23-sterols in Zea mays germ oil

stated in

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

Baccharoides anthelmintica

1 reference

stated in

4α-methylvernosterol and other sterols from Vernonia anthelmintica seeds

Identifiers

InChI

InChI=1S/C30H48O2/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/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

HDXVMNXZJASMLL-OJMNJZCNSA-N

0 references

0 references

1 reference

matched by identifier from

InChIKey

HDXVMNXZJASMLL-OJMNJZCNSA-N

1 reference

0 references

DSSTOX compound identifier

DTXCID30411206

0 references

(Q82284420)

CTK4J3999

Statements

Identifiers

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