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Substance Name: Rohituka 3
RN: 70266-36-3
InChIKey: WQTDOKKJTKGBTA-BTQFQRCOSA-N

Molecular Weight

  • 600.657
 
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Names and Synonyms

Results Name

  • Rohituka 3

Synonym

  • Rohituka 3

Systematic Name

  • Pentanoic acid, 2-hydroxy-3-methyl-, (4aS,7aS,8aR,9R,9aR,10S,12aS,13aR,13bR,13cR)-10-(3-furanyl)hexadecahydro-12a-hydroxy-4a,9a,13b-trimethyl-13-methylene-2,6,12-trioxo-2H,6H-cyclopenta(f)pyrano(4',3':6,7)oxepino(4,5-b)benzofuran-9-yl ester, (2R,3R)-

Registry Numbers

CAS Registry Number

  • 70266-36-3

System Generated Number

  • 0070266363

Structure Descriptors

InChI

1S/C32H40O11/c1-7-15(2)25(36)28(37)42-27-26-24(16(3)32(38)20(33)10-18(31(27,32)6)17-8-9-39-13-17)30(5)19-11-22(34)40-14-29(19,4)43-23(35)12-21(30)41-26/h8-9,13,15,18-19,21,24-27,36,38H,3,7,10-12,14H2,1-2,4-6H3/t15-,18?,19+,21+,24-,25?,26-,27+,29-,30-,31-,32-/m1/s1

InChIKey

WQTDOKKJTKGBTA-BTQFQRCOSA-N

Smiles

O1C(C[C@H]2[C@]([C@H]3CC(OC[C@@]13C)=O)(C)[C@H]1[C@@H](O2)[C@H](OC(=O)[C@@H](O)[C@@H](CC)C)[C@@]2([C@@H]([c@@]3ccoc3)CC([C@@]2(O)C1=C)=O)C)=O