(Q104389195)

English

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

group of stereoisomers with the chemical formula C₂₈H₄₆O₇

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Statements

instance of

group of stereoisomers

0 references

1 reference

494.3243538119999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₈H₄₆O₇

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canonical SMILES

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

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isomeric SMILES

C[C@@H](C[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)C3CC[C@@]12C)C(C)(C)O

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found in taxon

Tinospora hainanensis

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stated in

Phytochemical Constituents Of Tinospora Sinensis

Ajuga laxmannii

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stated in

Chemical Constituents of Ajuga parviflora

Ajuga chamaepitys

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stated in

Neo-clerodane diterpenoids from ajuga chamaepitys

Leuzea carthamoides

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stated in

Rhapisterone D 20-acetate from the seeds ofLeuzea carthamoides

Identifiers

InChI

InChI=1S/C28H46O7/c1-15(24(2,3)33)11-23(32)27(6,34)22-8-10-28(35)17-12-19(29)18-13-20(30)21(31)14-25(18,4)16(17)7-9-26(22,28)5/h12,15-16,18,20-23,30-35H,7-11,13-14H2,1-6H3/t15-,16?,18+,20-,21+,22+,23-,25-,26-,27-,28-/m0/s1

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InChIKey

IJRBORPEVKCEQD-WLLPFTRASA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

IJRBORPEVKCEQD-WLLPFTRASA-N

1 reference

(Q104389195)

(2R,3S,5S,10S,13S,14R,17R)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2S,3S,5S)-2,3,6-trihydroxy-5,6-dimethylheptan-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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