(Q105029392)

English

(3S,3'R,4S,5R,5'S,10S,13S,14S,17S)-3-hydroxy-4-(hydroxymethyl)-3',4,10,13,14-pentamethyl-5'-propanoylspiro[2,3,5,6,7,11,12,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-15-one

chemical compound

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instance of

type of chemical entity

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subclass of

7-hydroxy-6-(hydroxymethyl)-3',3a,6,9a,11a-pentamethyl-5'-propanoyl-4,5,5a,7,8,9,10,11-octahydro-2H-spiro[cyclopenta[a]phenanthrene-1,2'-oxolan]-3-one

1 reference

based on heuristic

inferred from SMILES

mass

472.318874508 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₄O₅

0 references

canonical SMILES

O=C(CC)C1OC2(CC(=O)C3(C4=C(CCC32C)C5(C)CCC(O)C(C)(CO)C5CC4)C)C(C)C1

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isomeric SMILES

CCC(=O)[C@@H]1C[C@@H](C)[C@]2(CC(=O)[C@@]3(C)C4=C(CC[C@@]32C)[C@@]2(C)CC[C@H](O)[C@](C)(CO)[C@@H]2CC4)O1

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found in taxon

Leopoldia comosa

1 reference

stated in

Glycosides from Muscari comosum. 1. Eucosterol glycoside and structure of its methanolysis products

Muscari comosum

1 reference

stated in

Glycosides from Muscari comosum. 1. Eucosterol glycoside and structure of its methanolysis products

Eucomis schijffii

1 reference

stated in

Homoisoflavanones and spirocyclic nortriterpenoids from three Eucomis species: E. comosa, E. schijffii and E. pallidiflora subsp. pole-evansii (Hyacinthaceae)

Eucomis pallidiflora

1 reference

stated in

Homoisoflavanones and spirocyclic nortriterpenoids from three Eucomis species: E. comosa, E. schijffii and E. pallidiflora subsp. pole-evansii (Hyacinthaceae)

Identifiers

InChI

InChI=1S/C29H44O5/c1-7-20(31)21-14-17(2)29(34-21)15-24(33)28(6)19-8-9-22-25(3,18(19)10-13-27(28,29)5)12-11-23(32)26(22,4)16-30/h17,21-23,30,32H,7-16H2,1-6H3/t17-,21+,22-,23+,25-,26-,27+,28-,29+/m1/s1

0 references

InChIKey

HJQFQTJAYYPCLS-HXCXCJAGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HJQFQTJAYYPCLS-HXCXCJAGSA-N

(Q105029392)

(3S,3'R,4S,5R,5'S,10S,13S,14S,17S)-3-hydroxy-4-(hydroxymethyl)-3',4,10,13,14-pentamethyl-5'-propanoylspiro[2,3,5,6,7,11,12,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-15-one

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