(Q104967795)

English

(2R,3R,4S,5S,6R)-2-[[(3S,7R,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Ikshusterol 3-O-glucoside

1 reference

based on heuristic

inferred from SMILES

mass

592.43390426 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₆₀O₇

0 references

canonical SMILES

OCC1OC(OC2CC3=CC(O)C4C(CCC5(C)C(CCC45)C(C)CCC(CC)C(C)C)C3(C)CC2)C(O)C(O)C1O

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isomeric SMILES

CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1=C[C@@H]3O)C(C)C

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found in taxon

Rosa laevigata

1 reference

stated in

Steroids and triterpenoids from Rosa laevigata

Identifiers

InChI

InChI=1S/C35H60O7/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-29-26(13-15-35(24,25)6)34(5)14-12-23(16-22(34)17-27(29)37)41-33-32(40)31(39)30(38)28(18-36)42-33/h17,19-21,23-33,36-40H,7-16,18H2,1-6H3/t20-,21-,23+,24-,25+,26+,27+,28-,29+,30-,31+,32-,33-,34+,35-/m1/s1

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InChIKey

CPVAKQVYNLPUBL-IPTQZSAISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CPVAKQVYNLPUBL-IPTQZSAISA-N

(Q104967795)

(2R,3R,4S,5S,6R)-2-[[(3S,7R,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Statements

Identifiers

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