(Q27137263)

English

(16alpha,20R,22S,23S)-16,23:22,25-diepoxy-2,20,22,23-tetrahydroxycucurbita-1,5-diene-3,11-dione 2-O-beta-D-glucopyranoside

chemical compound

In more languages

Statements

type of chemical entity

0 references

cucurbitane triterpenoid

0 references

692.340792±0 dalton

1 reference

language of work or name

CHEMBL1923781 (English)

7 October 2016

chemical formula

C₃₆H₅₂O₁₃

1 reference

language of work or name

CHEMBL1923781 (English)

7 October 2016

canonical SMILES

CC1(CC2(C(O1)(C(C3C(O2)CC4(C3(CC(=O)C5(C4CC=C6C5C=C(C(=O)C6(C)C)OC7C(C(C(C(O7)CO)O)O)O)C)C)C)(C)O)O)O)C

1 reference

language of work or name

CHEMBL1923781 (English)

7 October 2016

isomeric SMILES

C[C@@]12C[C@@H]3[C@@H]([C@]1(CC(=O)[C@@]4([C@H]2CC=C5[C@H]4C=C(C(=O)C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)[C@@]([C@]7([C@@](O3)(CC(O7)(C)C)O)O)(C)O

1 reference

language of work or name

CHEMBL1923781 (English)

7 October 2016

1 reference

Cucurbitane glucosides from the root of Machilus yaoshansis

Identifiers

InChI=1S/C36H52O13/c1-29(2)15-35(44)36(45,49-29)34(8,43)26-19(48-35)12-31(5)21-10-9-16-17(33(21,7)22(38)13-32(26,31)6)11-18(27(42)30(16,3)4)46-28-25(41)24(40)23(39)20(14-37)47-28/h9,11,17,19-21,23-26,28,37,39-41,43-45H,10,12-15H2,1-8H3/t17-,19-,20-,21+,23-,24+,25-,26+,28-,31+,32-,33+,34-,35+,36+/m1/s1

1 reference

language of work or name

CHEMBL1923781 (English)

7 October 2016

ANFGZMJFIDODOI-JOWNWPMHSA-N

2 references

language of work or name

CHEMBL1923781 (English)

7 October 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

language of work or name

(16alpha,20R,22S,23S)-16,23:22,25-diepoxy-2,20,22,23-tetrahydroxycucurbita-1,5-diene-3,11-dione 2-O-beta-D-glucopyranoside (English)

7 October 2016

ANFGZMJFIDODOI-JOWNWPMHSA-N

CAS Common Chemistry

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=1345690-55-2

1 reference

language of work or name

(9beta,10alpha,16alpha,22S,23S)-20,22,23-Trihydroxy-4,4,9,14-tetramethyl-3,11-dioxo-16,23:22,25-diepoxy-19-norcholesta-1,5-dien-2-yl beta-D-glucopyranoside (English)

7 October 2016

2 references

language of work or name

CHEMBL1923781 (English)

7 October 2016

matched by identifier from

ANFGZMJFIDODOI-JOWNWPMHSA-N

Reaxys registry number

22123603

1 reference

language of work or name

(16alpha,20R,22S,23S)-16,23:22,25-diepoxy-2,20,22,23-tetrahydroxycucurbita-1,5-diene-3,11-dione 2-O-beta-D-glucopyranoside (English)

7 October 2016

mapping relation type

2 references

language of work or name

(16alpha,20R,22S,23S)-16,23:22,25-diepoxy-2,20,22,23-tetrahydroxycucurbita-1,5-diene-3,11-dione 2-O-beta-D-glucopyranoside (English)

7 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C36H52O13/c1-29(2)15-35(44)36(45,49-29)34(8,43)26-19(48-35)12-31(5)21-10-9-16-17(33(21,7)22(38)13-32(26,31)6)11-18(27(42)30(16,3)4)46-28-25(41)24(40)23(39)20(14-37)47-28/h9,11,17,19-21,23-26,28,37,39-41,43-45H,10,12-15H2,1-8H3/t17-,19-,20-,21+,23-,24+,25-,26+,28-,31+,32-,33+,34-,35+,36+/m1/s1

1 reference

language of work or name

CHEMBL1923781 (English)

7 October 2016

UniChem compound ID

1 reference

DSSTox substance ID

DTXSID901099974

1 reference

matched by identifier from

ANFGZMJFIDODOI-JOWNWPMHSA-N

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