(Q105144661)

English

(2S,3R,5S,9S,10R,13S,14R,17S)-2,3,5-trihydroxy-17-[(4R,5R)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-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

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

1 reference

based on heuristic

inferred from SMILES

mass

520.340003876 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₇

0 references

canonical SMILES

O=C1C=C2C3CCC(C4(OC(OC4CCC(O)(C)C)(C)C)C)C3(C)CCC2C5(C)CC(O)C(O)CC15O

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isomeric SMILES

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

0 references

found in taxon

Stachyurus himalaicus

1 reference

stated in

New cytotoxic steroid from Stachyurus imalaicus var. himalaicus

Identifiers

InChI

InChI=1S/C30H48O7/c1-25(2,34)12-11-24-29(7,37-26(3,4)36-24)22-9-8-18-17-14-23(33)30(35)16-21(32)20(31)15-28(30,6)19(17)10-13-27(18,22)5/h14,18-22,24,31-32,34-35H,8-13,15-16H2,1-7H3/t18-,19-,20-,21+,22-,24+,27-,28+,29+,30+/m0/s1

0 references

InChIKey

KQOBFISXTUAIFI-CVHWEFHSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KQOBFISXTUAIFI-CVHWEFHSSA-N

(Q105144661)

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

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