(Q104392848)

English

(2S,3S,5R,9R,10S,13S,14S,17R)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2S,3S,6S)-2,3,7-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

cholestane steroid

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mass

480.308703748 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3S,6S)-2,3,7-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

1 reference

1 reference

1 reference

C₂₇H₄₄O₇

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canonical SMILES

O=C1C=C2C(CCC3(C)C(CCC23O)C(O)(C)C(O)CCC(C)CO)C4(C)CC(O)C(O)CC14

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isomeric SMILES

C[C@H](CO)CC[C@H](O)[C@@](C)(O)[C@@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@@H](O)C[C@@]4(C)[C@H]3CC[C@@]12C

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found in taxon

Lloydia serotina

1 reference

stated in

Phytoecdysteroids in seeds of Lloydia serotina (Liliaceae).

Polypodium vulgare

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stated in

New ecdysteroids from Polypodium vulgare

stated in

Biosynthesis of ecdysteroids in in vitro prothalli cultures of Polypodium vulgare

stated in

Phytoecdysteroid overproduction in Polypodium vulgare prothalli

Polypodium virginianum

3 references

stated in

Phytoecdysteroid overproduction in Polypodium vulgare prothalli

stated in

New ecdysteroids from Polypodium vulgare

stated in

Biosynthesis of ecdysteroids in in vitro prothalli cultures of Polypodium vulgare

Identifiers

InChI

InChI=1S/C27H44O7/c1-15(14-28)5-6-23(32)26(4,33)22-8-10-27(34)17-11-19(29)18-12-20(30)21(31)13-24(18,2)16(17)7-9-25(22,27)3/h11,15-16,18,20-23,28,30-34H,5-10,12-14H2,1-4H3/t15-,16-,18-,20-,21-,22+,23-,24-,25-,26-,27+/m0/s1

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InChIKey

JQNVCUBPURTQPQ-LWTFCORNSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

JQNVCUBPURTQPQ-LWTFCORNSA-N

1 reference

(Q104392848)

(2S,3S,5R,9R,10S,13S,14S,17R)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2S,3S,6S)-2,3,7-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

Statements

Identifiers

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