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Substance Name: Gratiolin
RN: 72892-42-3
InChIKey: ADROYOMDDOAVTC-UHFFFAOYSA-N

Molecular Formula

  • C42-H69-O14

Molecular Weight

  • 801.017
 
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Names and Synonyms

  • Gratiolin

Registry Numbers

CAS Registry Number

  • 72892-42-3

System Generated Number

  • 0072892423

Structure Descriptors

InChI

1S/C42H72O14/c1-37(2)30-16-18-33-39(5)22-20-32(41(7)23-21-36(51-41)38(3,4)44)40(39,6)28-34(43)42(33,8)31(30)17-19-35(37)47-29-50-55-53-48-27-15-11-13-25-46-24-12-9-10-14-26-49-54-56-52-45/h16,31-33,35-36,44-45H,9-15,17-29H2,1-8H3

InChIKey

ADROYOMDDOAVTC-UHFFFAOYSA-N

Smiles

C(COOOOO)CCCCOCCCCCOOOOCO[C@@H]1CC[C@@H]2C(C1(C)C)=CC[C@@H]1[C@@]2(C)C(=O)C[C@@]2(C)[C@@]1(C)CC[C@@H]2[C@@]1(C)O[C@@H](CC1)C(C)(O)C