(Q105225896)

English

(2S,3R,4S,5R)-2-[[(3S,7S,8R,9S,10S,13R,14S,16S,17R)-7,16-dihydroxy-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

0 references

subclass of

(2S,3R,4S,5R)-2-{[(1R,3aS,3bR,4S,7S,11aR)-2,4-dihydroxy-3a,6,6,9b,11a-pentamethyl-1-[(2R)-6-methylhept-5-en-2-yl]-1H,2H,3H,3bH,4H,7H,8H,9H,9aH,10H,11H-cyclopenta[a]phenanthren-7-yl]oxy}oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

2-{[2,4-dihydroxy-3a,6,6,9b,11a-pentamethyl-1-(6-methylhept-5-en-2-yl)-1H,2H,3H,3bH,4H,7H,8H,9H,9aH,10H,11H-cyclopenta[a]phenanthren-7-yl]oxy}oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

590.418254196 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,3R,4R,5R)-2-[[(3S,7S,8R,9S,10S,13S,14S,16S,17S)-7,16-dihydroxy-4,4,9,13,14-pentamethyl-17-[(2S)-6-methylhept-5-en-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₅H₅₈O₇

0 references

canonical SMILES

OC1C=C2C(CCC(OC3OCC(O)C(O)C3O)C2(C)C)C4(C)CCC5(C)C(C(O)CC5(C)C14)C(C)CCC=C(C)C

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isomeric SMILES

CC(C)=CCC[C@@H](C)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)CC[C@]12C

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found in taxon

Hebeloma vinosophyllum

1 reference

stated in

New toxic metabolites from a mushroom, Hebeloma vinosophyllum. II. Isolation and structures of hebevinosides VI, VII, VIII, IX, X, and XI.

Identifiers

InChI

InChI=1S/C35H58O7/c1-19(2)10-9-11-20(3)27-24(37)17-35(8)30-23(36)16-22-21(33(30,6)14-15-34(27,35)7)12-13-26(32(22,4)5)42-31-29(40)28(39)25(38)18-41-31/h10,16,20-21,23-31,36-40H,9,11-15,17-18H2,1-8H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-,30-,31+,33+,34-,35+/m1/s1

0 references

InChIKey

QQKQWCLXOKWADM-BDKOPGLPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QQKQWCLXOKWADM-BDKOPGLPSA-N

1 reference

(Q105225896)

(2S,3R,4S,5R)-2-[[(3S,7S,8R,9S,10S,13R,14S,16S,17R)-7,16-dihydroxy-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol

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Identifiers

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