(Q105260298)

English

[(3S,5R,6R,8S,9S,10S,11S,12S,13S,14S,17S)-17-acetyl-6,12-diacetyloxy-3-(dimethylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-11-yl] 3,4-dimethylpent-3-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[17-acetyl-6,12-diacetyloxy-3-(dimethylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-11-yl] 3,4-dimethylpent-3-enoate

1 reference

based on heuristic

inferred from SMILES

mass

587.382203036 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₅₃NO₇

0 references

canonical SMILES

O=C(OC1CC2C3CCC(C(=O)C)C3(C)C(OC(=O)C)C(OC(=O)CC(=C(C)C)C)C2C4(C)CCC(N(C)C)CC14)C

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isomeric SMILES

CC(=O)O[C@@H]1[C@@H](OC(=O)CC(C)=C(C)C)[C@H]2[C@@H](C[C@@H](OC(C)=O)[C@@H]3C[C@@H](N(C)C)CC[C@]23C)[C@@H]2CC[C@H](C(C)=O)[C@]21C

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found in taxon

Pachysandra axillaris

1 reference

stated in

Pregnane alkaloids from Pachysandra axillaris

Identifiers

InChI

InChI=1S/C34H53NO7/c1-18(2)19(3)15-29(39)42-31-30-24(26-12-11-25(20(4)36)34(26,8)32(31)41-22(6)38)17-28(40-21(5)37)27-16-23(35(9)10)13-14-33(27,30)7/h23-28,30-32H,11-17H2,1-10H3/t23-,24-,25+,26-,27-,28+,30+,31-,32+,33-,34+/m0/s1

0 references

InChIKey

STJUZAYVLDHPNV-KOVWATGBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

STJUZAYVLDHPNV-KOVWATGBSA-N

(Q105260298)

[(3S,5R,6R,8S,9S,10S,11S,12S,13S,14S,17S)-17-acetyl-6,12-diacetyloxy-3-(dimethylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-11-yl] 3,4-dimethylpent-3-enoate

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Identifiers

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