(Q104937466)

English

[11-hydroxy-17-(2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadecanoate

group of stereoisomers with the chemical formula C₄₈H₈₆O₄

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instance of

group of stereoisomers

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subclass of

protostane/dammarane triterpenoid

1 reference

inferred from

protostane/dammarane triterpenoid

mass

726.652611232 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₈H₈₆O₄

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canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2C(O)CC4C(CCC43C)C(O)(C)CCC=C(C)C)C1(C)C)CCCCCCCCCCCCCCCCC

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found in taxon

Bruguiera gymnorrhiza

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stated in

Bruguiesulfurol, a new sulfur compound from Bruguiera gymnorrhiza

Bruguiera gymnorhiza

1 reference

stated in

Bruguiesulfurol, a new sulfur compound from Bruguiera gymnorrhiza

Identifiers

InChI

InChI=1S/C48H86O4/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-42(50)52-41-30-32-45(6)40(44(41,4)5)29-34-47(8)43(45)39(49)35-38-37(28-33-46(38,47)7)48(9,51)31-25-26-36(2)3/h26,37-41,43,49,51H,10-25,27-35H2,1-9H3

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InChIKey

BKABTFBEUWNOKF-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BKABTFBEUWNOKF-UHFFFAOYSA-N

(Q104937466)

[11-hydroxy-17-(2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadecanoate

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