(Q105008798)

English

(3S,4S,5S,9R,10S,13R,14R,17R)-17-[(2R,5S)-5-ethyl-6-methylhept-6-en-2-yl]-4,10,13-trimethyl-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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Statements

instance of

type of chemical entity

0 references

subclass of

4-methylstigmastane steroid

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mass

426.38616622 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O

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canonical SMILES

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

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isomeric SMILES

C=C(C)[C@@H](CC)CC[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

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found in taxon

Volkameria inermis

1 reference

stated in

24,24-Dimethyl-25-dehydrolophenol, a 4α-methylsterol from Clerodendrum inerme

Gynostemma pentaphyllum

1 reference

stated in

4α,14α-Dimethyl-5α-ergosta-7,9(11),24(28)-trien-3β-ol from Phaseolus vulgaris and Gynostemma pentaphyllum

Identifiers

InChI

InChI=1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h11,20-22,24-28,31H,2,8-10,12-18H2,1,3-7H3/t20-,21+,22+,24-,25+,26+,27+,28+,29-,30+/m1/s1

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InChIKey

GHXNTTGYUBGTRM-WWEWUDSVSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105008798)

(3S,4S,5S,9R,10S,13R,14R,17R)-17-[(2R,5S)-5-ethyl-6-methylhept-6-en-2-yl]-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Statements

Identifiers

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