(Q104253615)

English

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

group of stereoisomers with the chemical formula C₂₉H₄₆O

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Statements

instance of

group of stereoisomers

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subclass of

stigmastan-type steroid

1 reference

inferred from

stigmastan-type steroid

mass

410.354866092 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₆O

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canonical SMILES

OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C=CC(C(=C)C)CC)C)C2(C)CC1

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isomeric SMILES

C=C(C)C(C=CC(C)C1CC[C@H]2[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@@H]3CC[C@]12C)CC

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found in taxon

Clerodendrum infortunatum

1 reference

stated in

Sterols of some Clerodendrum species (Verbenaceae): occurrence of the 24 alpha- and 24 beta-epimers of 24-ethylsterols lacking a delta 25-bond

Clerodendrum scandens

1 reference

stated in

Sterols of some Clerodendrum species (Verbenaceae): occurrence of the 24 alpha- and 24 beta-epimers of 24-ethylsterols lacking a delta 25-bond

Clerodendrum fragrans

1 reference

stated in

Sterols of some Clerodendrum species (Verbenaceae): occurrence of the 24 alpha- and 24 beta-epimers of 24-ethylsterols lacking a delta 25-bond

Aegiphila verticillata

1 reference

stated in

Sterols and sterol glucosides from two Aegiphila species

Clerodendrum umbellatum

1 reference

stated in

Sterols of some Clerodendrum species (Verbenaceae): occurrence of the 24 alpha- and 24 beta-epimers of 24-ethylsterols lacking a delta 25-bond

Clerodendrum indicum

1 reference

stated in

Sterols of some Clerodendrum species (Verbenaceae): occurrence of the 24 alpha- and 24 beta-epimers of 24-ethylsterols lacking a delta 25-bond

Volkameria inermis

1 reference

stated in

Sterols of some Clerodendrum species (Verbenaceae): occurrence of the 24 alpha- and 24 beta-epimers of 24-ethylsterols lacking a delta 25-bond

Identifiers

InChI

InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,20-21,23-27,30H,2,7,11-18H2,1,3-6H3/t20?,21?,23?,24-,25?,26-,27+,28-,29+/m0/s1

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InChIKey

ZTJFINKUHDHOSM-JGHDUIOPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZTJFINKUHDHOSM-JGHDUIOPSA-N

(Q104253615)

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

Statements

Identifiers

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