Structure

Tenacigenoside A

CAS
920502-42-7
Catalog Number
ACM920502427
Category
Other Products
Molecular Weight
668.8
Molecular Formula
C35H56O12

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Specification

IUPAC Name
1-[(3R,6S,7S,8S,9S,10S,11S,14S,16S)-14-[(2S,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-6-yl]ethanone
SMILES
CC1C(C(C(C(O1)OC2C(OC(CC2OC)OC3CCC4(C(C3)CCC56C4C(C(C7(C5(O6)CCC7C(=O)C)C)O)O)C)C)O)OC)O
InChI
InChI=1S/C35H56O12/c1-16(36)21-10-13-35-33(21,5)30(40)26(39)29-32(4)11-9-20(14-19(32)8-12-34(29,35)47-35)45-23-15-22(41-6)27(18(3)43-23)46-31-25(38)28(42-7)24(37)17(2)44-31/h17-31,37-40H,8-15H2,1-7H3/t17-,18-,19+,20+,21-,22-,23-,24-,25-,26+,27-,28-,29-,30-,31+,32+,33+,34?,35-/m1/s1
InChI Key
WGOHWIVFCMYBJP-ZMFWOZTBSA-N
Appearance
Powder
What is the molecular formula of Tenacigenoside a?

The molecular formula of Tenacigenoside a is C35H56O12.

What are the synonyms of Tenacigenoside a?

The synonyms of Tenacigenoside a are Tenacigenoside A, 920502-42-7, AKOS030573640, and 1-[(3R,6S,7S,8S,9S,10S,11S,14S,16S)-14-[(2S,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-6-yl]ethanone.

What is the molecular weight of Tenacigenoside a?

The molecular weight of Tenacigenoside a is 668.8 g/mol.

When was Tenacigenoside a created and modified in PubChem?

Tenacigenoside a was created on September 21, 2015, and last modified on December 30, 2023.

What is the IUPAC name of Tenacigenoside a?

The IUPAC name of Tenacigenoside a is 1-[(3R,6S,7S,8S,9S,10S,11S,14S,16S)-14-[(2S,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.0 1,3 .0 3,7 .0 11,16 ]octadecan-6-yl]ethanone.

What is the InChI of Tenacigenoside a?

The InChI of Tenacigenoside a is InChI=1S/C35H56O12/c1-16(36)21-10-13-35-33(21,5)30(40)26(39)29-32(4)11-9-20(14-19(32)8-12-34(29,35)47-35)45-23-15-22(41-6)27(18(3)43-23)46-31-25(38)28(42-7)24(37)17(2)44-31/h17-31,37-40H,8-15H2,1-7H3/t17-,18-,19+,20+,21-,22-,23-,24-,25-,26+,27-,28-,29-,30-,31+,32+,33+,34?,35-/m1/s1.

What is the InChIKey of Tenacigenoside a?

The InChIKey of Tenacigenoside a is WGOHWIVFCMYBJP-ZMFWOZTBSA-N.

What is the canonical SMILES of Tenacigenoside a?

The canonical SMILES of Tenacigenoside a is CC1C(C(C(C(O1)OC2C(OC(CC2OC)OC3CCC4(C(C3)CCC56C4C(C(C7(C5(O6)CCC7C(=O)C)C)O)O)C)C)O)OC)O.

What is the XLogP3-AA value of Tenacigenoside a?

The XLogP3-AA value of Tenacigenoside a is 0.7.

How many hydrogen bond acceptors does Tenacigenoside a have?

Tenacigenoside a has 12 hydrogen bond acceptors.

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