(Q105165075)

English

(3S,4S,5S,9R,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(2R,3E,5S)-6-methyl-5-propan-2-ylhepta-3,6-dien-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

chemical compound

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type of chemical entity

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subclass of

4,10,13-trimethyl-17-(6-methyl-5-propan-2-ylhepta-3,6-dien-2-yl)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

1 reference

based on heuristic

inferred from SMILES

mass

438.38616622 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₀O

0 references

canonical SMILES

OC1CCC2(C)C3C(=CCC2C1C)C4CCC(C(C=CC(C(=C)C)C(C)C)C)C4(C)CC3

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isomeric SMILES

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

0 references

found in taxon

Viola reichenbachiana

1 reference

stated in

The 4α-Methylsterol Violasterol A from Viola Formosana Hayata

Viola formosana

1 reference

stated in

The 4α-Methylsterol Violasterol A from Viola Formosana Hayata

Identifiers

InChI

InChI=1S/C31H50O/c1-19(2)23(20(3)4)10-9-21(5)25-13-14-27-24-11-12-26-22(6)29(32)16-18-31(26,8)28(24)15-17-30(25,27)7/h9-11,20-23,25-29,32H,1,12-18H2,2-8H3/b10-9+/t21-,22+,23+,25-,26+,27+,28+,29+,30-,31+/m1/s1

0 references

InChIKey

MIMFGBDIMNNWHS-YPXXWRHSSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MIMFGBDIMNNWHS-YPXXWRHSSA-N

(Q105165075)

(3S,4S,5S,9R,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(2R,3E,5S)-6-methyl-5-propan-2-ylhepta-3,6-dien-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

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